2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

C17H18N2O — CID 43199722

IUPAC2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)CCN2CC1CNc2ccccc2O1
InChIInChI=1S/C17H18N2O/c1-3-7-16-13(5-1)9-10-19(16)12-14-11-18-15-6-2-4-8-17(15)20-14/h1-8,14,18H,9-12H2
InChIKeyLUGPJRVOBPEMFH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.92
Rot. Bonds2

About 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 43199722) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID43199722
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)CCN2CC1CNc2ccccc2O1
InChIInChI=1S/C17H18N2O/c1-3-7-16-13(5-1)9-10-19(16)12-14-11-18-15-6-2-4-8-17(15)20-14/h1-8,14,18H,9-12H2
InChIKeyLUGPJRVOBPEMFH-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 43199722) is 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)CCN2CC1CNc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is LUGPJRVOBPEMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-7-16-13(5-1)9-10-19(16)12-14-11-18-15-6-2-4-8-17(15)20-14/h1-8,14,18H,9-12H2.
What are the key properties of 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 266.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 43199722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).